2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol

C15H23NO — CID 112633171

IUPAC2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
SMILESCC(C)c1ccc(NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C15H23NO/c1-10(2)11-5-7-12(8-6-11)16-13-9-14(17)15(13,3)4/h5-8,10,13-14,16-17H,9H2,1-4H3
InChIKeyXUTHROKMSUWPER-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.38
Rot. Bonds3

About 2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol

2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol (PubChem CID 112633171) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
PubChem CID112633171
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
SMILESCC(C)c1ccc(NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C15H23NO/c1-10(2)11-5-7-12(8-6-11)16-13-9-14(17)15(13,3)4/h5-8,10,13-14,16-17H,9H2,1-4H3
InChIKeyXUTHROKMSUWPER-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol
CID 112633298
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide
CID 114631600
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633168
N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
CID 115972221
3-(3-iodo-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633569
3-(3-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628749
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one
CID 114630237
3-(3,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633224
2,2-dimethyl-3-[4-(morpholin-4-ylmethyl)anilino]cyclobutan-1-ol
CID 115972171
2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol
CID 115972200
5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 112633246

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol (CID 112633171) is 2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol is CC(C)c1ccc(NC2CC(O)C2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol?
The InChIKey is XUTHROKMSUWPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)11-5-7-12(8-6-11)16-13-9-14(17)15(13,3)4/h5-8,10,13-14,16-17H,9H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol?
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol is sourced from PubChem (CID 112633171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).